Compound Detail
CHEMBL353456
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CCOC(=O)C[C@H]1C[C@@H](n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)CN1C(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL353456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQIZZZZYZWSQLD-IAGOWNOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
3.89
ALogP
9
HBA
2
HBD
132.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 300.0 | nM | 6.52 | Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine... | 11277536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277536 | 10.1016/s0960-894x(01)00080-4 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine